3-[3-(4-methylsulfonylpiperazin-1-yl)carbonylpyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-methylsulfonylpiperazin-1-yl)carbonylpyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(4-methylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(4-methylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(4-mesylpiperazine-1-carbonyl)pyrazol-1-yl]propionic acid Formula: C12H18N4O5S MolecularWeight: 330.36012

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C2=NN(C=C2)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C2=NN(C=C2)CCC(=O)O

InChI

InChI=1S/C12H18N4O5S/c1-22(20,21)16-8-6-14(7-9-16)12(19)10-2-4-15(13-10)5-3-11(17)18/h2,4H,3,5-9H2,1H3,(H,17,18)